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Home > Bromides > 1949815-82-0
1949815-82-0 | Ethyl 3-allyl-2-imino-2,3-dihydrobenzo[d]thiazole-6-carboxylate hydrobromide
CAS No: 1949815-82-0 Catalog No: AG01FMZU MDL No:MFCD26940495
Product Description
Catalog Number:
AG01FMZU
Chemical Name:
Ethyl 3-allyl-2-imino-2,3-dihydrobenzo[d]thiazole-6-carboxylate hydrobromide
CAS Number:
1949815-82-0
Molecular Formula:
C13H15BrN2O2S
Molecular Weight:
343.2394
MDL Number:
MFCD26940495
IUPAC Name:
ethyl 2-imino-3-prop-2-enyl-1,3-benzothiazole-6-carboxylate;hydrobromide
InChI:
InChI=1S/C13H14N2O2S.BrH/c1-3-7-15-10-6-5-9(12(16)17-4-2)8-11(10)18-13(15)14;/h3,5-6,8,14H,1,4,7H2,2H3;1H
InChI Key:
ABZSQSQCXSUCQG-UHFFFAOYSA-N
SMILES:
C=CCn1c(=N)sc2c1ccc(c2)C(=O)OCC.Br
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.004g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.239g/mol
Monoisotopic Mass:
342.004g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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